CID 118246890

3-cyclopropyl-5-fluorobenzaldehyde

Structural Information

Molecular Formula
C10H9FO
SMILES
C1CC1C2=CC(=CC(=C2)C=O)F
InChI
InChI=1S/C10H9FO/c11-10-4-7(6-12)3-9(5-10)8-1-2-8/h3-6,8H,1-2H2
InChIKey
PTAXRXJJFUZUDM-UHFFFAOYSA-N
Compound name
3-cyclopropyl-5-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

164.06374 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07102 128.5
[M+Na]+ 187.05296 139.5
[M-H]- 163.05646 135.4
[M+NH4]+ 182.09756 144.7
[M+K]+ 203.02690 136.1
[M+H-H2O]+ 147.06100 121.4
[M+HCOO]- 209.06194 152.7
[M+CH3COO]- 223.07759 182.4
[M+Na-2H]- 185.03841 135.0
[M]+ 164.06319 130.3
[M]- 164.06429 130.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe